methyl (3S,4R)-5-cyano-4-(4-methylphenyl)-2-oxidanylidene-6-phenacylsulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate

Systemtic Name: methyl (3S,4R)-5-cyano-4-(4-methylphenyl)-2-oxidanylidene-6-phenacylsulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate Openeye Name: methyl (3S,4R)-5-cyano-2-oxo-6-phenacylsulfanyl-4-(p-tolyl)-3,4-dihydro-1H-pyridine-3-carboxylate CAS Name: (3S,4R)-5-cyano-4-(4-methylphenyl)-2-oxo-6-(phenacylthio)-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (3S,4R)-5-cyano-4-(4-methylphenyl)-2-oxo-6-phenacylsulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate Traditional Name: (3S,4R)-5-cyano-2-keto-6-(phenacylthio)-4-(p-tolyl)-3,4-dihydro-1H-pyridine-3-carboxylic acid methyl ester Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(=O)NC(=C2C#N)SCC(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2[C@@H](C(=O)NC(=C2C#N)SCC(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H20N2O4S/c1-14-8-10-16(11-9-14)19-17(12-24)22(25-21(27)20(19)23(28)29-2)30-13-18(26)15-6-4-3-5-7-15/h3-11,19-20H,13H2,1-2H3,(H,25,27)/t19-,20+/m1/s1